SCHEMBL9838006

SCHEMBL9838006

C=CC(=O)Nc1cccc(CC)c1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
FGFR4 P22455 4/20 0.43
TGM2 P21980 4/20 0.43
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
CLCN2 P51788 1/20 0.39
DHFR P00374 1/20 0.39
RORC P51449 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7178423 0.85 EGFR (0.52) EGFRTGM2HDAC3HDAC4HDAC1
SCHEMBL8686783 0.83 CLCN2 (0.46) TGM2CLCN2
SCHEMBL15093896 0.81 HTT (0.53) CLCN2DHFR
SCHEMBL29580700 0.81 HTT (0.53) CLCN2DHFR
SCHEMBL2018495 0.81 CLCN2 (0.47) CLCN2DHFRHDAC3HDAC4HDAC1
SCHEMBL3940043 0.80 MAPK1 (0.50) CLCN2
SCHEMBL9558740 0.80 CACNA1C (0.51) TGM2THRATHRBCLCN2
SCHEMBL1720103 0.78 GAA (0.49) CLCN2DHFRHDAC3HDAC4HDAC1
SCHEMBL21600596 0.78 HPGD (0.48) CLCN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL28166963 0.77 THRA (0.43) EGFRFGFR4TGM2THRATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071876-A Antiinflammatory agent; antiallergen; skin disorders; asthma; enzyme inhibitors of 5-lipogenase G. D. SEARLE & CO. (US) 1991-12-10 US disclosed